General Information of the Compound
| Compound ID |
CP0556077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614213, 19.108
Show/Hide
|
||||||||||||||||||
| Formula |
C19H22ClFN4O
|
||||||||||||||||||
| Molecular Weight |
376.863
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CNc2ccc(F)cn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22ClFN4O/c1-12-17(8-14(20)10-22-12)19(26)25-16-5-2-13(3-6-16)9-23-18-7-4-15(21)11-24-18/h4,7-8,10-11,13,16H,2-3,5-6,9H2,1H3,(H,23,24)(H,25,26)/t13-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKWXTSMSFZSJIT-SAZUREKKSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound